Simulation of powder EPR spectra with axial symmetry
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资源简介：
Title of program: SIMULAPO
Catalogue Id: AAOF_v1_0
Nature of problem
The determination of the spin Hamiltonian parameters from powder spectra often requires a full simulation of the spectrum, especially when the zero-field parameters are of the same order as the Zeeman term. This program calculates the first derivative of the EPR absorption spectrum of powder samples using the following approximations: i) the paramagnetic species is randomly distributed in space; ii) the linewidth is isotropic and is the same for all transitions.
Versions of this program held in the CPC repository in Mendeley Data
AAOF_v1_0; SIMULAPO; 10.1016/0010-4655(82)90063-7
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
1982-01-01
